2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine

C17H17F3N2O — CID 53390793

IUPAC2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine
SMILESFc1ccc(F)c(OCc2cccnc2C2CCNCC2)c1F
InChIInChI=1S/C17H17F3N2O/c18-13-3-4-14(19)17(15(13)20)23-10-12-2-1-7-22-16(12)11-5-8-21-9-6-11/h1-4,7,11,21H,5-6,8-10H2
InChIKeyIYIGZQQBNBCEOR-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.54
Rot. Bonds4

About 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine

2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine (PubChem CID 53390793) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine
PubChem CID53390793
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine
SMILESFc1ccc(F)c(OCc2cccnc2C2CCNCC2)c1F
InChIInChI=1S/C17H17F3N2O/c18-13-3-4-14(19)17(15(13)20)23-10-12-2-1-7-22-16(12)11-5-8-21-9-6-11/h1-4,7,11,21H,5-6,8-10H2
InChIKeyIYIGZQQBNBCEOR-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine?
The IUPAC name of 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine (CID 53390793) is 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine.
What is the SMILES notation for 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine?
The canonical SMILES for 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine is Fc1ccc(F)c(OCc2cccnc2C2CCNCC2)c1F.
What is the InChIKey of 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine?
The InChIKey is IYIGZQQBNBCEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-13-3-4-14(19)17(15(13)20)23-10-12-2-1-7-22-16(12)11-5-8-21-9-6-11/h1-4,7,11,21H,5-6,8-10H2.
What are the key properties of 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine?
2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine has a molecular weight of 322.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-3-[(2,3,6-trifluorophenoxy)methyl]pyridine is sourced from PubChem (CID 53390793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).